4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide

C15H19ClN2O — CID 79210718

IUPAC4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C15H19ClN2O/c1-10(11-3-6-13(16)7-4-11)18(2)15(19)12-5-8-14(17)9-12/h3-8,10,12,14H,9,17H2,1-2H3
InChIKeyLTNWOIOIYQOMRZ-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.76
Rot. Bonds3

About 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide

4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide (PubChem CID 79210718) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
PubChem CID79210718
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C15H19ClN2O/c1-10(11-3-6-13(16)7-4-11)18(2)15(19)12-5-8-14(17)9-12/h3-8,10,12,14H,9,17H2,1-2H3
InChIKeyLTNWOIOIYQOMRZ-UHFFFAOYSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210647
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 114997863
4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
CID 79211120
N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388766
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 47160080
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 79323070
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide (CID 79210718) is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The InChIKey is LTNWOIOIYQOMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10(11-3-6-13(16)7-4-11)18(2)15(19)12-5-8-14(17)9-12/h3-8,10,12,14H,9,17H2,1-2H3.
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide?
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide has a molecular weight of 278.78 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).